General Information of the Compound
| Compound ID |
CP0509318
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| Compound Name |
6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((1-isobutylpiperidin-2-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C33H42F2N4O2
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| Molecular Weight |
564.721
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| Canonical SMILES |
CC(C)CN1CCCCC1Cn1c(=O)c2CN(Cc3ccc(C)cc3C)CCc2n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C33H42F2N4O2/c1-22(2)17-37-14-6-5-8-26(37)19-39-32(40)28-20-36(18-25-12-11-23(3)16-24(25)4)15-13-31(28)38(33(39)41)21-27-29(34)9-7-10-30(27)35/h7,9-12,16,22,26H,5-6,8,13-15,17-21H2,1-4H3
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| InChIKey |
NJYDXWWAPTWRLL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound